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51410-72-1 molecular structure
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trimethyl[3-(2-methylprop-2-enamido)propyl]azanium chloride

ChemBase ID: 150494
Molecular Formular: C10H21ClN2O
Molecular Mass: 220.73954
Monoisotopic Mass: 220.13424098
SMILES and InChIs

SMILES:
CC(=C)C(=O)NCCC[N+](C)(C)C.[Cl-]
Canonical SMILES:
CC(=C)C(=O)NCCC[N+](C)(C)C.[Cl-]
InChI:
InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H
InChIKey:
UZNHKBFIBYXPDV-UHFFFAOYSA-N

Cite this record

CBID:150494 http://www.chembase.cn/molecule-150494.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trimethyl[3-(2-methylprop-2-enamido)propyl]azanium chloride
IUPAC Traditional name
trimethyl[3-(2-methylprop-2-enamido)propyl]azanium chloride
Synonyms
Acrylamido buffer solution pK >=12.0
[3-(Methacryloylamino)propyl]trimethylammonium chloride solution
3-Methacrylamido-N,N,N-trimethylpropan-1-aminium chloride
丙烯酰胺缓冲溶液 pK≥12.0
N,N,N-三甲基-3-(2-甲基烯丙酰氨基)-1-氯化丙铵 溶液
CAS Number
51410-72-1
MDL Number
MFCD00011812
PubChem SID
162244655
24856949
PubChem CID
106428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 106428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.9710455  H Acceptors
H Donor LogD (pH = 5.5) -3.738502 
LogD (pH = 7.4) -3.738501  Log P -3.738501 
Molar Refractivity 67.1655 cm3 Polarizability 21.57822 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.053 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.43 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95+% expand Show data source
Concentration
50 wt. % in H2O expand Show data source
Contains
600 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Linear Formula
H2C=C(CH3)CONH(CH2)3N(CH3)3Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 280658 external link
Packaging
500 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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